Sugi Predict

Sugi Predict / Compounds / SCHEMBL3501401

SCHEMBL3501401

SCHEMBL3501401

CC[C@H](Nc1nc2ccc(-c3cnn(C)c3)cc2c2c(=O)[nH]ccc12)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 7/20 0.49
▸ CHEK1 O14757 1/20 0.46
▸ ACVR1 Q04771 1/20 0.45
▸ KCNH2 Q12809 3/20 0.41
▸ GPR39 O43194 1/20 0.40
▸ GSK3B P49841 3/20 0.39
▸ DYRK1A Q13627 3/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ PRMT5 O14744 2/20 0.39
▸ WDR77 Q9BQA1 2/20 0.39
▸ ATM Q13315 1/20 0.38
▸ ATR Q13535 1/20 0.38
▸ PIK3CA P42336 2/20 0.38
▸ LRRK2 Q5S007 1/20 0.37
▸ ZAP70 P43403 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3500158 0.90 JAK2 (0.62) JAK2CHEK1ACVR1KCNH2GPR39
SCHEMBL13249649 0.84 CHEK1 (0.48) JAK2CHEK1ACVR1KCNH2GPR39
SCHEMBL3502206 0.81 JAK2 (0.60) JAK2CHEK1KCNH2JAK3LRRK2
SCHEMBL3500468 0.81 JAK2 (0.60) JAK2CHEK1KCNH2JAK3LRRK2
SCHEMBL3500915 0.80 JAK2 (0.53) JAK2CHEK1KCNH2
SCHEMBL3502426 0.79 JAK2 (0.61) JAK2CHEK1ACVR1PRMT5WDR77
SCHEMBL3500981 0.77 JAK2 (0.77) JAK2KCNH2
SCHEMBL3502471 0.75 JAK2 (0.66) JAK2CHEK1ACVR1PIK3CALRRK2
SCHEMBL3501381 0.75 JAK2 (0.66) JAK2CHEK1ACVR1GSK3BDYRK1A
SCHEMBL2874886 0.75 JAK2 (0.66) JAK2CHEK1ACVR1PIK3CALRRK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349865-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-01-08 — — US claimed
US-20100197634-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-08-05 — — US claimed
US-8349865-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-01-08 — — US disclosed
US-8349865-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-01-08 — — US disclosed
US-8349865-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-01-08 — — US disclosed
EP-2200612-B1 INHIBITORS OF JANUS KINASES SCHERING CORP (US) 2012-08-08 — — EP disclosed
US-20100197634-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-08-05 — — US disclosed
US-20100197634-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-08-05 — — US disclosed
US-20100197634-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-08-05 — — US disclosed
WO-2009035575-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2009-03-19 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100197634-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 JAK2 1/4885CHEK1 740/4885ACVR1 2346/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.